0 mol 16 unq 0 iso 0 dist 7.63133 5.46498 5.32694 8.71745 10.4155 5.74188 6.56335 10.454 6.70071 4.50891 5.94084 5.47769 6.58035 12.1189 11.6017 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.63133 8.71745 10.4155 5.46498 5.32694 5.74188 6.56335 10.454 4.50891 6.70071 5.94084 5.47769 12.1189 6.58035 11.6017 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 5.46498 7.63133 5.32694 8.71745 5.74188 10.4155 6.56335 6.70071 10.454 4.50891 5.94084 6.58035 5.47769 12.1189 11.6017 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 5.46498 8.71745 5.74188 7.63133 5.32694 10.4155 6.56335 6.70071 4.50891 10.454 5.94084 6.58035 12.1189 5.47769 11.6017 numMergedOcc 0
4 mol 16 unq 2 iso 0 dist 5.46498 7.63133 5.32694 8.71745 5.74188 10.4155 6.56335 6.70071 10.454 4.50891 6.73355 8.41862 13.0191 8.16785 7.40724 numMergedOcc 0
5 mol 16 unq 2 iso 1 dist 5.46498 8.71745 5.74188 7.63133 5.32694 10.4155 6.56335 6.70071 4.50891 10.454 6.73355 8.41862 8.16785 13.0191 7.40724 numMergedOcc 0
6 mol 16 unq 3 iso 0 dist 8.71745 7.63133 10.4155 5.46498 5.74188 5.32694 6.56335 4.50891 10.454 6.70071 6.73355 8.16785 13.0191 8.41862 7.40724 numMergedOcc 0
7 mol 16 unq 3 iso 1 dist 8.71745 5.46498 5.74188 7.63133 10.4155 5.32694 6.56335 4.50891 6.70071 10.454 6.73355 8.16785 8.41862 13.0191 7.40724 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 6.864 7.07775 5.80928 6.92532 12.3486 5.18512 9.47529 5.5841 9.80108 9.58539 8.58657 11.2198 numMergedOcc 0
9 mol 19 unq 0 iso 1 dist 7.20519 6.864 7.07775 4.54938 7.34551 5.80928 6.92532 12.3486 9.47529 5.18512 5.5841 9.80108 8.58657 9.58539 11.2198 numMergedOcc 0
10 mol 19 unq 1 iso 0 dist 6.864 7.20519 7.07775 4.54938 5.80928 7.34551 6.92532 9.47529 12.3486 5.18512 5.5841 8.58657 9.80108 9.58539 11.2198 numMergedOcc 0
11 mol 19 unq 1 iso 1 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 6.92532 9.47529 5.18512 12.3486 5.5841 8.58657 9.58539 9.80108 11.2198 numMergedOcc 0
12 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 8.93915 6.45462 5.89973 8.60739 9.06158 5.64171 11.3891 9.49077 9.83618 13.5377 13.7177 16.8624 numMergedOcc 0
13 mol 43 unq 0 iso 1 dist 6.20293 8.93915 6.45462 5.73819 5.06502 5.89973 8.60739 9.06158 11.3891 5.64171 9.49077 9.83618 13.7177 13.5377 16.8624 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 6.19965 7.95579 4.26409 7.66905 6.9948 10.7229 7.33422 7.91778 6.82174 10.121 11.6116 9.47876 13.6587 7.22293 16.0288 numMergedOcc 0
15 mol 85 unq 0 iso 1 dist 6.19965 7.66905 6.9948 7.95579 4.26409 10.7229 7.33422 7.91778 10.121 6.82174 11.6116 9.47876 7.22293 13.6587 16.0288 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 7.66905 7.95579 10.7229 6.19965 6.9948 4.26409 7.33422 10.121 6.82174 7.91778 11.6116 7.22293 13.6587 9.47876 16.0288 numMergedOcc 0
17 mol 85 unq 1 iso 1 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 7.33422 10.121 7.91778 6.82174 11.6116 7.22293 9.47876 13.6587 16.0288 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 9.00544 14.9392 11.8512 9.01214 15.209 7.75343 11.8016 15.6924 22.2111 numMergedOcc 0
19 mol 100 unq 0 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 9.00544 14.9392 9.01214 11.8512 15.209 7.75343 15.6924 11.8016 22.2111 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 7.12017 12.6602 9.52882 14.8674 15.209 7.75343 11.8016 15.6924 19.9317 numMergedOcc 0
21 mol 100 unq 1 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 7.12017 12.6602 14.8674 9.52882 15.209 7.75343 15.6924 11.8016 19.9317 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 5.83991 7.30858 10.8507 7.88312 8.02349 11.5723 5.72642 6.4497 5.61704 7.3094 10.9739 7.76729 17.6696 12.9821 14.0242 numMergedOcc 0
23 mol 115 unq 0 iso 1 dist 5.83991 7.88312 8.02349 7.30858 10.8507 11.5723 5.72642 6.4497 7.3094 5.61704 10.9739 7.76729 12.9821 17.6696 14.0242 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 5.72642 7.3094 5.61704 6.4497 11.7126 6.99777 11.695 13.9977 9.9928 numMergedOcc 0
25 mol 115 unq 1 iso 1 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 5.72642 7.3094 6.4497 5.61704 11.7126 6.99777 13.9977 11.695 9.9928 numMergedOcc 0
26 mol 115 unq 2 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 5.72642 7.3094 5.61704 6.4497 4.62962 9.14376 10.0603 9.65429 9.68845 numMergedOcc 0
27 mol 115 unq 2 iso 1 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 5.72642 7.3094 6.4497 5.61704 4.62962 9.14376 9.65429 10.0603 9.68845 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 8.28642 9.35627 5.70788 11.2078 8.25411 9.13561 12.4808 14.1119 14.187 numMergedOcc 0
29 mol 152 unq 0 iso 1 dist 6.70283 8.67331 6.4896 5.87555 5.42328 5.54906 8.28642 9.35627 11.2078 5.70788 8.25411 9.13561 14.1119 12.4808 14.187 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 6.51749 5.93488 13.8722 7.64267 5.4601 7.20046 10.2276 11.968 7.345 numMergedOcc 0
31 mol 181 unq 0 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 6.51749 5.93488 7.64267 13.8722 5.4601 7.20046 11.968 10.2276 7.345 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 6.51749 5.93488 13.8722 7.64267 10.0524 7.13543 10.7636 11.8099 9.52987 numMergedOcc 0
33 mol 181 unq 1 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 6.51749 5.93488 7.64267 13.8722 10.0524 7.13543 11.8099 10.7636 9.52987 numMergedOcc 0
34 mol 181 unq 2 iso 0 dist 9.15386 9.1374 12.1628 5.98885 5.16002 8.88798 6.51749 7.64267 13.8722 5.93488 8.25067 9.6668 13.2702 10.8351 11.1398 numMergedOcc 0
35 mol 181 unq 2 iso 1 dist 9.15386 5.98885 5.16002 9.1374 12.1628 8.88798 6.51749 7.64267 5.93488 13.8722 8.25067 9.6668 10.8351 13.2702 11.1398 numMergedOcc 0
36 mol 214 unq 0 iso 0 dist 8.85478 9.65138 4.40923 7.14453 11.3796 9.10746 6.38157 5.63388 7.38025 9.35273 6.67959 7.46831 10.852 12.6888 5.10114 numMergedOcc 0
37 mol 214 unq 0 iso 1 dist 8.85478 7.14453 11.3796 9.65138 4.40923 9.10746 6.38157 5.63388 9.35273 7.38025 6.67959 7.46831 12.6888 10.852 5.10114 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 8.65997 5.22356 7.60506 8.03442 10.5813 10.2525 7.22396 6.43754 8.17891 12.4085 6.95902 7.1372 numMergedOcc 0
39 mol 227 unq 0 iso 1 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 8.03442 10.5813 7.22396 10.2525 6.43754 8.17891 6.95902 12.4085 7.1372 numMergedOcc 0
40 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 7.56888 10.8658 7.43198 8.03442 10.5813 10.2525 6.10296 6.43754 8.17891 12.4085 11.004 7.1372 numMergedOcc 0
41 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 9.34734 6.99063 7.43198 8.03442 10.5813 6.10296 10.2525 6.43754 8.17891 11.004 12.4085 7.1372 numMergedOcc 0
42 mol 227 unq 2 iso 0 dist 7.22101 9.34734 6.99063 7.55216 12.4689 9.51866 8.03442 10.5813 10.2525 9.69537 6.43754 8.17891 12.4085 12.8864 7.1372 numMergedOcc 0
43 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 9.34734 6.99063 9.51866 8.03442 10.5813 9.69537 10.2525 6.43754 8.17891 12.8864 12.4085 7.1372 numMergedOcc 0
44 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 8.03442 10.5813 7.22396 6.10296 6.43754 8.17891 6.95902 11.004 7.1372 numMergedOcc 0
45 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 8.65997 5.22356 9.70012 8.03442 10.5813 6.10296 7.22396 6.43754 8.17891 11.004 6.95902 7.1372 numMergedOcc 0
46 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 8.03442 10.5813 7.22396 9.69537 6.43754 8.17891 6.95902 12.8864 7.1372 numMergedOcc 0
47 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 8.65997 5.22356 12.9332 8.03442 10.5813 9.69537 7.22396 6.43754 8.17891 12.8864 6.95902 7.1372 numMergedOcc 0
48 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 7.55216 12.4689 4.48529 8.03442 10.5813 6.10296 9.69537 6.43754 8.17891 11.004 12.8864 7.1372 numMergedOcc 0
49 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 7.56888 10.8658 4.48529 8.03442 10.5813 9.69537 6.10296 6.43754 8.17891 12.8864 11.004 7.1372 numMergedOcc 0
50 mol 227 unq 3 iso 0 dist 8.65997 9.34734 7.60506 7.22101 5.22356 6.99063 8.03442 7.22396 10.2525 10.5813 14.6185 9.62609 17.0949 13.4493 10.841 numMergedOcc 0
51 mol 227 unq 3 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 8.03442 7.22396 10.5813 10.2525 14.6185 9.62609 13.4493 17.0949 10.841 numMergedOcc 0
52 mol 227 unq 4 iso 0 dist 8.65997 9.34734 7.60506 7.22101 5.22356 6.99063 8.03442 7.22396 10.2525 10.5813 6.43754 6.95902 12.4085 8.17891 7.1372 numMergedOcc 0
53 mol 227 unq 4 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 8.03442 7.22396 10.5813 10.2525 6.43754 6.95902 8.17891 12.4085 7.1372 numMergedOcc 0
54 mol 227 unq 5 iso 0 dist 8.65997 9.34734 7.60506 7.56888 9.70012 7.43198 8.03442 7.22396 10.2525 6.10296 14.6185 9.62609 17.0949 16.5207 10.841 numMergedOcc 0
55 mol 227 unq 5 iso 1 dist 8.65997 7.56888 9.70012 9.34734 7.60506 7.43198 8.03442 7.22396 6.10296 10.2525 14.6185 9.62609 16.5207 17.0949 10.841 numMergedOcc 0
56 mol 227 unq 6 iso 0 dist 8.65997 9.34734 7.60506 7.56888 9.70012 7.43198 8.03442 7.22396 10.2525 6.10296 6.43754 6.95902 12.4085 11.004 7.1372 numMergedOcc 0
57 mol 227 unq 6 iso 1 dist 8.65997 7.56888 9.70012 9.34734 7.60506 7.43198 8.03442 7.22396 6.10296 10.2525 6.43754 6.95902 11.004 12.4085 7.1372 numMergedOcc 0
58 mol 227 unq 7 iso 0 dist 8.65997 9.34734 7.60506 7.55216 12.9332 9.51866 8.03442 7.22396 10.2525 9.69537 14.6185 9.62609 17.0949 19.8174 10.841 numMergedOcc 0
59 mol 227 unq 7 iso 1 dist 8.65997 7.55216 12.9332 9.34734 7.60506 9.51866 8.03442 7.22396 9.69537 10.2525 14.6185 9.62609 19.8174 17.0949 10.841 numMergedOcc 0
60 mol 227 unq 8 iso 0 dist 8.65997 9.34734 7.60506 7.55216 12.9332 9.51866 8.03442 7.22396 10.2525 9.69537 6.43754 6.95902 12.4085 12.8864 7.1372 numMergedOcc 0
61 mol 227 unq 8 iso 1 dist 8.65997 7.55216 12.9332 9.34734 7.60506 9.51866 8.03442 7.22396 9.69537 10.2525 6.43754 6.95902 12.8864 12.4085 7.1372 numMergedOcc 0
62 mol 227 unq 5 iso 0 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 8.03442 7.22396 10.5813 6.10296 14.6185 9.62609 13.4493 16.5207 10.841 numMergedOcc 0
63 mol 227 unq 5 iso 1 dist 8.65997 7.56888 9.70012 7.22101 5.22356 10.8658 8.03442 7.22396 6.10296 10.5813 14.6185 9.62609 16.5207 13.4493 10.841 numMergedOcc 0
64 mol 227 unq 6 iso 0 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 8.03442 7.22396 10.5813 6.10296 6.43754 6.95902 8.17891 11.004 7.1372 numMergedOcc 0
65 mol 227 unq 6 iso 1 dist 8.65997 7.56888 9.70012 7.22101 5.22356 10.8658 8.03442 7.22396 6.10296 10.5813 6.43754 6.95902 11.004 8.17891 7.1372 numMergedOcc 0
66 mol 227 unq 7 iso 0 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 8.03442 7.22396 10.5813 9.69537 14.6185 9.62609 13.4493 19.8174 10.841 numMergedOcc 0
67 mol 227 unq 7 iso 1 dist 8.65997 7.55216 12.9332 7.22101 5.22356 12.4689 8.03442 7.22396 9.69537 10.5813 14.6185 9.62609 19.8174 13.4493 10.841 numMergedOcc 0
68 mol 227 unq 8 iso 0 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 8.03442 7.22396 10.5813 9.69537 6.43754 6.95902 8.17891 12.8864 7.1372 numMergedOcc 0
69 mol 227 unq 8 iso 1 dist 8.65997 7.55216 12.9332 7.22101 5.22356 12.4689 8.03442 7.22396 9.69537 10.5813 6.43754 6.95902 12.8864 8.17891 7.1372 numMergedOcc 0
70 mol 227 unq 7 iso 0 dist 8.65997 7.56888 9.70012 7.55216 12.9332 4.48529 8.03442 7.22396 6.10296 9.69537 14.6185 9.62609 16.5207 19.8174 10.841 numMergedOcc 0
71 mol 227 unq 7 iso 1 dist 8.65997 7.55216 12.9332 7.56888 9.70012 4.48529 8.03442 7.22396 9.69537 6.10296 14.6185 9.62609 19.8174 16.5207 10.841 numMergedOcc 0
72 mol 227 unq 8 iso 0 dist 8.65997 7.56888 9.70012 7.55216 12.9332 4.48529 8.03442 7.22396 6.10296 9.69537 6.43754 6.95902 11.004 12.8864 7.1372 numMergedOcc 0
73 mol 227 unq 8 iso 1 dist 8.65997 7.55216 12.9332 7.56888 9.70012 4.48529 8.03442 7.22396 9.69537 6.10296 6.43754 6.95902 12.8864 11.004 7.1372 numMergedOcc 0
74 mol 227 unq 9 iso 0 dist 7.55216 9.34734 9.51866 7.22101 12.4689 6.99063 8.03442 9.69537 10.2525 10.5813 11.662 8.83563 14.4583 15.9414 17.6352 numMergedOcc 0
75 mol 227 unq 9 iso 1 dist 7.55216 7.22101 12.4689 9.34734 9.51866 6.99063 8.03442 9.69537 10.5813 10.2525 11.662 8.83563 15.9414 14.4583 17.6352 numMergedOcc 0
76 mol 227 unq 10 iso 0 dist 7.55216 9.34734 9.51866 8.65997 12.9332 7.60506 8.03442 9.69537 10.2525 7.22396 11.662 8.83563 14.4583 18.8667 17.6352 numMergedOcc 0
77 mol 227 unq 10 iso 1 dist 7.55216 8.65997 12.9332 9.34734 9.51866 7.60506 8.03442 9.69537 7.22396 10.2525 11.662 8.83563 18.8667 14.4583 17.6352 numMergedOcc 0
78 mol 227 unq 11 iso 0 dist 7.55216 9.34734 9.51866 7.56888 4.48529 7.43198 8.03442 9.69537 10.2525 6.10296 11.662 8.83563 14.4583 12.9801 17.6352 numMergedOcc 0
79 mol 227 unq 11 iso 1 dist 7.55216 7.56888 4.48529 9.34734 9.51866 7.43198 8.03442 9.69537 6.10296 10.2525 11.662 8.83563 12.9801 14.4583 17.6352 numMergedOcc 0
80 mol 227 unq 10 iso 0 dist 7.55216 7.22101 12.4689 8.65997 12.9332 5.22356 8.03442 9.69537 10.5813 7.22396 11.662 8.83563 15.9414 18.8667 17.6352 numMergedOcc 0
81 mol 227 unq 10 iso 1 dist 7.55216 8.65997 12.9332 7.22101 12.4689 5.22356 8.03442 9.69537 7.22396 10.5813 11.662 8.83563 18.8667 15.9414 17.6352 numMergedOcc 0
82 mol 227 unq 11 iso 0 dist 7.55216 7.22101 12.4689 7.56888 4.48529 10.8658 8.03442 9.69537 10.5813 6.10296 11.662 8.83563 15.9414 12.9801 17.6352 numMergedOcc 0
83 mol 227 unq 11 iso 1 dist 7.55216 7.56888 4.48529 7.22101 12.4689 10.8658 8.03442 9.69537 6.10296 10.5813 11.662 8.83563 12.9801 15.9414 17.6352 numMergedOcc 0
84 mol 227 unq 11 iso 0 dist 7.55216 8.65997 12.9332 7.56888 4.48529 9.70012 8.03442 9.69537 7.22396 6.10296 11.662 8.83563 18.8667 12.9801 17.6352 numMergedOcc 0
85 mol 227 unq 11 iso 1 dist 7.55216 7.56888 4.48529 8.65997 12.9332 9.70012 8.03442 9.69537 6.10296 7.22396 11.662 8.83563 12.9801 18.8667 17.6352 numMergedOcc 0
86 mol 252 unq 0 iso 0 dist 8.33025 9.2288 8.41807 7.19638 14.9102 11.7918 7.50201 11.056 5.23748 7.63376 9.37715 7.66365 10.165 14.7097 10.1637 numMergedOcc 0
87 mol 252 unq 0 iso 1 dist 8.33025 7.19638 14.9102 9.2288 8.41807 11.7918 7.50201 11.056 7.63376 5.23748 9.37715 7.66365 14.7097 10.165 10.1637 numMergedOcc 0
